N-[(3-cyanophenyl)methyl]-4-fluoro-2-hydroxy-N-methylbenzamide

C16H13FN2O2 — CID 103829715

IUPACN-[(3-cyanophenyl)methyl]-4-fluoro-2-hydroxy-N-methylbenzamide
SMILESCN(Cc1cccc(C#N)c1)C(=O)c1ccc(F)cc1O
InChIInChI=1S/C16H13FN2O2/c1-19(10-12-4-2-3-11(7-12)9-18)16(21)14-6-5-13(17)8-15(14)20/h2-8,20H,10H2,1H3
InChIKeyJKIOWRCWOWHWKK-UHFFFAOYSA-N
MW284.29 g/mol
LogP2.68
Rot. Bonds3

About N-[(3-cyanophenyl)methyl]-4-fluoro-2-hydroxy-N-methylbenzamide

N-[(3-cyanophenyl)methyl]-4-fluoro-2-hydroxy-N-methylbenzamide (PubChem CID 103829715) has the molecular formula C16H13FN2O2 and a molecular weight of 284.29 g/mol. Its IUPAC name is N-[(3-cyanophenyl)methyl]-4-fluoro-2-hydroxy-N-methylbenzamide.

Molecular Properties

Compound NameN-[(3-cyanophenyl)methyl]-4-fluoro-2-hydroxy-N-methylbenzamide
PubChem CID103829715
Molecular FormulaC16H13FN2O2
Molecular Weight284.29 g/mol
Exact Mass284.10
IUPAC NameN-[(3-cyanophenyl)methyl]-4-fluoro-2-hydroxy-N-methylbenzamide
SMILESCN(Cc1cccc(C#N)c1)C(=O)c1ccc(F)cc1O
InChIInChI=1S/C16H13FN2O2/c1-19(10-12-4-2-3-11(7-12)9-18)16(21)14-6-5-13(17)8-15(14)20/h2-8,20H,10H2,1H3
InChIKeyJKIOWRCWOWHWKK-UHFFFAOYSA-N
XLogP2.68
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-cyanophenyl)methyl]-4-hydroxy-N,2-dimethylbenzamide
CID 103863635
3-bromo-N-[(3-cyanophenyl)methyl]-2-fluoro-N-methylbenzamide
CID 106544611
N-[(3-cyanophenyl)methyl]-N-methylbenzamide
CID 47161976
N-[(3-cyanophenyl)methyl]-3-hydroxy-N-methylbenzamide
CID 62968287
5-amino-2-chloro-N-[(3-cyanophenyl)methyl]-N-methylbenzamide
CID 61104833
N-[(3-cyanophenyl)methyl]-N,2-dimethylpyridine-3-carboxamide
CID 78950805
1-[(3-cyanophenyl)methyl]-1,3,3-trimethylurea
CID 112726627
N-[(3-cyanophenyl)methyl]-N-methylthiophene-2-carboxamide
CID 47161979
4-fluoro-N-[(3-fluorophenyl)methyl]-N,2-dimethylbenzamide
CID 115745141
4-fluoro-2-hydroxy-N-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 103829573
N-[(3-cyanophenyl)methyl]-2-(2-hydroxyphenyl)-N-methylacetamide
CID 78916774
2-[(3-cyanophenyl)methylsulfanyl]-N-[(3-fluorophenyl)methyl]-N-methylacetamide
CID 8965051

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyanophenyl)methyl]-4-fluoro-2-hydroxy-N-methylbenzamide?
The IUPAC name of N-[(3-cyanophenyl)methyl]-4-fluoro-2-hydroxy-N-methylbenzamide (CID 103829715) is N-[(3-cyanophenyl)methyl]-4-fluoro-2-hydroxy-N-methylbenzamide.
What is the SMILES notation for N-[(3-cyanophenyl)methyl]-4-fluoro-2-hydroxy-N-methylbenzamide?
The canonical SMILES for N-[(3-cyanophenyl)methyl]-4-fluoro-2-hydroxy-N-methylbenzamide is CN(Cc1cccc(C#N)c1)C(=O)c1ccc(F)cc1O.
What is the InChIKey of N-[(3-cyanophenyl)methyl]-4-fluoro-2-hydroxy-N-methylbenzamide?
The InChIKey is JKIOWRCWOWHWKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O2/c1-19(10-12-4-2-3-11(7-12)9-18)16(21)14-6-5-13(17)8-15(14)20/h2-8,20H,10H2,1H3.
What are the key properties of N-[(3-cyanophenyl)methyl]-4-fluoro-2-hydroxy-N-methylbenzamide?
N-[(3-cyanophenyl)methyl]-4-fluoro-2-hydroxy-N-methylbenzamide has a molecular weight of 284.29 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyanophenyl)methyl]-4-fluoro-2-hydroxy-N-methylbenzamide is sourced from PubChem (CID 103829715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).